Y040-3801 Screening compound: 4,7-dimethyl-2-oxo-2H-chromen-5-yl 2,4-dichlorobenzoate

Y040-3801 Screening compound: 4,7-dimethyl-2-oxo-2H-chromen-5-yl 2,4-dichlorobenzoate
Y040-3801 Screening compound: 4,7-dimethyl-2-oxo-2H-chromen-5-yl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3801
4,7-dimethyl-2-oxo-2H-chromen-5-yl 2,4-dichlorobenzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y040-3801

Molecular Formula

C18H12Cl2O4 (C18 H12 Cl2 O4)

Compound Name

4,7-dimethyl-2-oxo-2H-chromen-5-yl 2,4-dichlorobenzoate

IUPAC name

47-dimethyl-2-oxo-2H-chromen-5-yl 24-dichlorobenzoate

SMILES

Cc1cc(OC(c(ccc(Cl)c2)c2Cl)=O)c(C(C)=CC(O2)=O)c2c1

InChI

InChI=1S/C18H12Cl2O4/c1-9-5-14-17(10(2)7-16(21)23-14)15(6-9)24-18(22)12-4-3-11(19)8-13(12)20/h3-8H,1-2H3

InChI Key

PZZYCLNCAWLMHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06626821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-6.09

Polar Surface Area

41.110

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with Y040-3801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3801?
Check Price and Availability of Y040-3801, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-3801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3801
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y040-3801 available by request